Mol:FL3FALNR0001

From Metabolomics.JP
Jump to: navigation, search

FL3FALNR0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -1.9301    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9301   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3738   -0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8175   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8175    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3738    0.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2612   -0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2951   -0.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2951    0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2612    0.4213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2612   -1.3642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8512    0.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4181    0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9851    0.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9851    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4181    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8512    1.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4986    1.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3738   -1.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8512   -0.8633    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.4073   -0.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4878   -1.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0427   -1.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4878   -2.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8512   -1.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3738    1.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9270    1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9270    2.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3543    2.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4986    2.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4181    2.0577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2874    0.7189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7874    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
 18 15  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 13 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 20 25  1  0  0  0  0 
 25 22  2  0  0  0  0 
  6 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
  1 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  32  33 
M  SBL   1  1  35 
M  SMT   1  OCH3 
M  SVB   1 35   -2.2874    0.7189 
S  SKP  8 
ID	FL3FALNR0001 
KNApSAcK_ID	C00004041 
NAME	Dihydrocycloartomunin 
CAS_RN	135023-16-4 
FORMULA	C26H26O7 
EXACTMASS	450.167853186 
AVERAGEMASS	450.48043999999993 
SMILES	C(C(C=23)Oc(c1C2Oc(c4CC=C(C)C)c(c(cc4OC)O)C3=O)cc(O)c(O)c1)=C(C)C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox